Superconductivity in lithium, potassium, and aluminum under extreme pressure: a first-principles study

Extreme pressure strongly affects the superconducting properties of "simple" elemental metals, such as Li, K, and Al. Pressure induces superconductivity in Li (as high as 17 K) while suppressing it in Al. We report first-principles investigations of the superconducting properties of dense Li, K, and Al based on a recently proposed, parameter-free, method. Our results show an unprecedented agreement with experiments, assess the predictive power of the method over a wide range of densities and electron-phonon couplings, and provide predictions for K, where no experiments exist so far. More importantly, our results help uncover the physics of the different behaviors of Li and Al in terms of phonon softening and Fermi surface nesting in Li.     

Sorption of ofloxacin and chrysoidine by grape stalk. A representative case of biomass removal of emerging pollutants from wastewater

Emerging pollutants, as antibiotics or dyes, in aquatic ecosystems are a crucial concern and numerous techniques have been developed for their removal. Efficiency, cost effectiveness, and biodegradability reveal biomass sorption as one of the most appealing methods. This study aims to evaluate the effectiveness of grape stalk as a sorbent for ofloxacin (a fluoroquinolone antibiotic) and chrysoidine (an azo-dye). The kinetic and the thermodynamic aspects of the sorption were studied. A pseudo first-order kinetic behavior is shown by both substances, though the kinetic constants of ofloxacin are almost double than those of chrysoidine. The sorption isotherms, which strictly follow the Langmuir model, show remarkable differences as a function of pH and of biomass size. The trend of Langmuir parameters, Q_max and K, as a function of pH and size, is discussed, and different binding mechanisms are proposed. Kinetic and thermodynamic parameters prefigure grape stalk as a potential biomass for scavenging toxic substances from wastewater.     

Superconductivity in doped polyethylene at high pressure

In this work we study the pressure-dependent phase diagram of polyethylene (H₂C)_x from 50 to 200 GPa. Low-symmetry, organic polymeric phases, that are dynamically stable and thermodynamically competitive with elemental decomposition, are reported. Electronic structure calculations reveal that the band gap of the lowest energy polymeric phase decreases from 5.5 to 4.5 eV in the 50–200 GPa range, but metalization occurs only for pressures well above 500 GPa. The possibility of metalization via doping was also investigated, observing that it can be achieved through boron substitution at carbon sites. We report a sizable electron-phonon coupling (λ ? 0.79) in this metallic phase, with an estimated superconducting transition temperature of about 35 K. However, a rather narrow domain of stability is found; most of the dopant elements render the polymeric phases unstable and induce amorphization. This suggests that doping under pressure, though presenting an alternative route to find high temperature superconductors, would be challenging to achieve experimentally.     

Evidence of orbital reconstruction at interfaces in ultrathin La0.67Sr0.33MnO3 films

Linear dichroism (LD) in x-ray absorption, diffraction, transport, and magnetization measurements on thin La(0.7)Sr(0.3)MnO(3) films grown on different substrates, allow identification of a peculiar interface effect, related just to the presence of the interface. We report the LD signature of preferential 3d-e(g)(3z(2)-r(2)) occupation at the interface, suppressing the double exchange mechanism. This surface orbital reconstruction is opposite to that favored by residual strain and is independent of dipolar fields, the chemical nature of the substrate and the presence of capping layers.     

Electron spectroscopy study in the NbN growth for NbN/AlN interfaces

NbN superconductor and wide band gap AlN thin films were deposited using sputtering at room temperature. Study of the nitride interfaces are forerunner to the growth Josephson junctions that are considered able to work in the terahertz frequency. We find that to be compatible with lithography technology and to have a high critical transition temperature, the substrate should not be overheated, and this means working in low power regime to limit the induced heating of the plasma. X-ray photoelectron spectroscopy and X-ray diffraction analysis were performed on samples deposited on crystalline, amorphous, flexible, and nanostructured substrates. The experimental results suggest us how to improve the deposition process in order to obtain the best nitride films as well as NbN/AlN/NbN trilayers for Josephson junction applications.     

Nanoscopic coexistence of magnetism and superconductivity in YBa2Cu3O6+x detected by muon spin rotation

We performed zero and transverse field muon spin rotation experiments on a large number of YBa2Cu3O6+x samples. We detect the coexistence of antiferromagnetic (AF) short range magnetism with superconductivity below T(f) < or = 10 K in compositions 0.37 < or = x < or = 0.39. Most muons experience local AF fields, even when a SQUID detects a full superconducting volume fraction, which points to a local minimal interference organization of short AF stripes embedded in the superconductor. A detailed phase diagram is produced and the consequences of the minimal interference are discussed.     

High temperature electro-optical degradation of InGaN/GaN HBLEDs

This paper presents a study of the high temperature degradation of high brightness light emitting diodes (HBLEDs) on gallium nitride. Two different families of devices, from two leading manufacturers, have been submitted to thermal stress: during treatment, the optical and electrical characteristics of the devices have been analyzed. Degradation modes detected after stress have been (i) operating voltage increase, (ii) output power decrease, (iii) modifications of the spectral properties. The degradation of the electrical and optical characteristics of the devices were found to have different kinetics: this fact indicates that optical power (OP) loss is not strongly related to the degradation of the electrical parameters of the LEDs. On the other hand, spectral analysis indicated that OP loss is strongly related to the decrease of the phosphors-related yellow emission band. Microscopic analysis showed that this effect can be ascribed to the carbonization of the package and phosphorous material. A degradation of the transparency of the top-side ohmic contact has been also detected after stress: these mechanisms are thought to be responsible for the detected OP decrease. OP decay process has been found to be thermally activated, with activation energy equal to 1.5 eV.     

Antiviral properties from plants of the Mediterranean flora

Natural products are a successful source in drug discovery, playing a significant role in maintaining human health. We investigated the in vitro cytotoxicity and antiviral activity of extracts from 18 traditionally used Mediterranean plants. Noteworthy antiviral activity was found in the extract obtained from the branches of Daphne gnidium L. against human immunodeficiency virus type-1 (EC₅₀ = 0.08 μg/mL) and coxsackievirus B5 (EC₅₀ = 0.10 μg/mL). Other relevant activities were found against BVDV, YFV, Sb-1, RSV and HSV-1. Interestingly, extracts from Artemisia arborescens L. and Rubus ulmifolius Schott, as well as those from D. gnidium L., showed activities against two different viruses. This extensive antiviral screening allowed us to identify attractive activities, offering opportunities to develop lead compounds with a great pharmaceutical potential.     

Atomic XAFS as a tool to probe the reactivity of metal oxide catalysts: quantifying metal oxide support effects

The potential of atomic XAFS (AXAFS) to directly probe the catalytic performances of a set of supported metal oxide catalysts has been explored for the first time. For this purpose, a series of 1 wt % supported vanadium oxide catalysts have been prepared differing in their oxidic support material (SiO2, Al2O3, Nb2O5, and ZrO2). Previous characterization results have shown that these catalysts contain the same molecular structure on all supports, i.e., a monomeric VO4 species. It was found that the catalytic activity for the selective oxidation of methanol to formaldehyde and the oxidative dehydrogenation of propane to propene increases in the order SiO2 < Al2O3 < Nb2O5 < ZrO2. The opposite trend was observed for the dehydrogenation of propane to propene in the absence of oxygen. Interestingly, the intensity of the Fourier transform AXAFS peak decreases in the same order. This can be interpreted by an increase in the binding energy of the vanadium valence orbitals when the ionicity of the support (increasing electron charge on the support oxygen atoms) increases. Moreover, detailed EXAFS analysis shows a systematic decrease of the V-Ob(-M(support)) and an increase of a the V-O(H) bond length, when going from SiO2 to ZrO2. This implies a more reactive OH group for ZrO2, in line with the catalytic data. These results show that the electronic structure and consequently the catalytic behavior of the VO4 cluster depend on the ionicity of the support oxide. These results demonstrate that AXAFS spectroscopy can be used to understand and predict the catalytic performances of supported metal oxide catalysts. Furthermore, it enables the user to gather quantitative insight in metal oxide support interactions.     

Two-dimensional chiral single domain by D-alaninol functionalization of Cu(100)

We report the results of chemisorption in saturating conditions of D-alaninol on Cu(100) in term of the analysis of low-energy electron diffraction and scanning tunneling microscopy data. A large two-dimensional, single domain, ordered chiral structure of quadrangular tetrameric molecular units is formed. The four molecules interact differently with the surface in the two orthogonal directions.